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	hartrees
Energy at 0K	-335.225601
Energy at 298.15K
HF Energy	-335.225601
Nuclear repulsion energy	57.746249

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)	Raman Act (Å⁴/u)	Dep P	Dep U
1	Σ	2044	2015	410.02	85.72	0.13	0.22
2	Σ	533	526	166.12	21.87	0.68	0.81
3	Π	75	74	3.18	7.92	0.75	0.86
3	Π	75	74	3.18	7.92	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
Al1	0.000	0.000	1.215
N2	0.000	0.000	-0.668
C3	0.000	0.000	-1.854

	Al1	N2	C3
Al1		1.8833	3.0699
N2	1.8833		1.1865
C3	3.0699	1.1865

Number	Element	Mulliken
1	Al	0.273
2	N	-0.075
3	C	-0.198

All results from a given calculation for AlNC (Aluminum isocyanide)

using model chemistry: B97D3/cc-pVTZ

States and conformations

	Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology
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<r²>	58.783
(<r²>)^1/2	7.667